SCHEMBL5813396

SCHEMBL5813396

CNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)F)cc2)c2cc(Cl)c(O)cc12.Cc1c(CC(N)=O)c2cc(O)c(Cl)cc2n1C(=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.55
PLA2G2A P14555 1/20 0.47
PTGS1 P23219 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5558497 0.96 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL5554640 0.94 PTGS2 (0.58) PTGS2PLA2G2APTGS1
SCHEMBL5554600 0.88 PTGS2 (0.53) PTGS2
SCHEMBL5813369 0.87 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5554433 0.86 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL5554194 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5442566 0.86 PTGS1 (0.59) PTGS2PTGS1
SCHEMBL5812740 0.85 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5798265 0.85 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5559900 0.85 PTGS2 (0.54) PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed